smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C(C)C)c3ccccc32)CC1	ZINC000447531207	338554587	/nfs/dbraw/zinc/55/45/87/338554587.db2.gz	QGEKMJMWHRLJLL-NHCUHLMSSA-N	2	1	312.501	4.501	20	30		DJEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(C)C)c3ccccc32)CC1	ZINC000447531206	338554602	/nfs/dbraw/zinc/55/46/02/338554602.db2.gz	QGEKMJMWHRLJLL-LEWJYISDSA-N	2	1	312.501	4.501	20	30		DJEDMP
C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C(C)C)cc2)CC1	ZINC000482629455	339638028	/nfs/dbraw/zinc/63/80/28/339638028.db2.gz	NJPRYNUWLCRJIB-QGZVFWFLSA-N	2	1	300.490	4.501	20	30		DJEDMP
C=CCC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccco1	ZINC000552225383	341379404	/nfs/dbraw/zinc/37/94/04/341379404.db2.gz	FYWHUKRQAXRIPO-ROUUACIJSA-N	2	1	304.478	4.531	20	30		DJEDMP
C=CCC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccco1	ZINC000552225384	341379444	/nfs/dbraw/zinc/37/94/44/341379444.db2.gz	FYWHUKRQAXRIPO-ZWKOTPCHSA-N	2	1	304.478	4.531	20	30		DJEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H](c2cccs2)C2CCCC2)CC1	ZINC000537886082	337964950	/nfs/dbraw/zinc/96/49/50/337964950.db2.gz	AKIZUJYSCLFTMG-LJQANCHMSA-N	2	1	318.530	4.610	20	30		DJEDMP
C=C(C)C[NH+]1CCC([NH2+][C@H](CCCC)c2ccccc2)CC1	ZINC000467849314	339247540	/nfs/dbraw/zinc/24/75/40/339247540.db2.gz	GQZHEEGCDMAXPD-HXUWFJFHSA-N	2	1	300.490	4.548	20	30		DJEDMP
C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](C(C)C)c3ccccc32)CC1	ZINC000447531209	338554560	/nfs/dbraw/zinc/55/45/60/338554560.db2.gz	QGEKMJMWHRLJLL-SFTDATJTSA-N	2	1	312.501	4.501	20	30		DJEDMP
C=CCCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000499168981	340031576	/nfs/dbraw/zinc/03/15/76/340031576.db2.gz	LXKTZTRYHGKAEE-ZIBCJSCZSA-N	2	1	312.501	4.516	20	30		DJEDMP
C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](C(C)C)c3ccccc32)CC1	ZINC000447531208	338554595	/nfs/dbraw/zinc/55/45/95/338554595.db2.gz	QGEKMJMWHRLJLL-RTWAWAEBSA-N	2	1	312.501	4.501	20	30		DJEDMP
C=CCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000499168980	340031592	/nfs/dbraw/zinc/03/15/92/340031592.db2.gz	LXKTZTRYHGKAEE-WLRLJWMZSA-N	2	1	312.501	4.516	20	30		DJEDMP
C=CCCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000499168979	340031658	/nfs/dbraw/zinc/03/16/58/340031658.db2.gz	LXKTZTRYHGKAEE-WJMWBRGCSA-N	2	1	312.501	4.516	20	30		DJEDMP
C=CCC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC1	ZINC000438984862	338357825	/nfs/dbraw/zinc/35/78/25/338357825.db2.gz	MCSRHZKBZUVMMP-DYESRHJHSA-N	2	1	312.501	4.546	20	30		DJEDMP
C=CCC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1ccco1	ZINC000552250064	341381270	/nfs/dbraw/zinc/38/12/70/341381270.db2.gz	UFGONFORAJXXPZ-LJQANCHMSA-N	2	1	312.457	4.528	20	30		DJEDMP
C=CCC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1	ZINC000438984868	338357794	/nfs/dbraw/zinc/35/77/94/338357794.db2.gz	MCSRHZKBZUVMMP-LAUBAEHRSA-N	2	1	312.501	4.546	20	30		DJEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc3ccccc32)CC1	ZINC000482630431	339638057	/nfs/dbraw/zinc/63/80/57/339638057.db2.gz	QDCYIHRMCVZWPU-KRWDZBQOSA-N	2	1	308.469	4.531	20	30		DJEDMP
C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1	ZINC000438984872	338357827	/nfs/dbraw/zinc/35/78/27/338357827.db2.gz	MCSRHZKBZUVMMP-UWJYYQICSA-N	2	1	312.501	4.546	20	30		DJEDMP
C=CCC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC1	ZINC000438984869	338357837	/nfs/dbraw/zinc/35/78/37/338357837.db2.gz	MCSRHZKBZUVMMP-UTKZUKDTSA-N	2	1	312.501	4.546	20	30		DJEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H](CCCC)c2ccccc2)CC1	ZINC000467849313	339247691	/nfs/dbraw/zinc/24/76/91/339247691.db2.gz	GQZHEEGCDMAXPD-FQEVSTJZSA-N	2	1	300.490	4.548	20	30		DJEDMP
C=CCCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000499168978	340031609	/nfs/dbraw/zinc/03/16/09/340031609.db2.gz	LXKTZTRYHGKAEE-AYWYSENESA-N	2	1	312.501	4.516	20	30		DJEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc3ccccc3s2)CC1	ZINC000187978047	334606962	/nfs/dbraw/zinc/60/69/62/334606962.db2.gz	PQGUIEBOCPLYHP-HNNXBMFYSA-N	2	1	314.498	4.592	20	30		DJEDMP
C=CCC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccco1	ZINC000552225381	341379430	/nfs/dbraw/zinc/37/94/30/341379430.db2.gz	FYWHUKRQAXRIPO-MSOLQXFVSA-N	2	1	304.478	4.531	20	30		DJEDMP
C=CCC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccco1	ZINC000552250810	341381317	/nfs/dbraw/zinc/38/13/17/341381317.db2.gz	BOSZOJVVRFUBPW-IBGZPJMESA-N	2	1	316.489	4.674	20	30		DJEDMP
C=C(C)C[NH+]1CCC([NH2+]C2CCC(C(C)(C)CC)CC2)CC1	ZINC000462740995	339086305	/nfs/dbraw/zinc/08/63/05/339086305.db2.gz	CZOFCJSQIBNURQ-UHFFFAOYSA-N	2	1	306.538	4.612	20	30		DJEDMP
C=CCC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccco1	ZINC000552250811	341381257	/nfs/dbraw/zinc/38/12/57/341381257.db2.gz	BOSZOJVVRFUBPW-LJQANCHMSA-N	2	1	316.489	4.674	20	30		DJEDMP
C=CCC[C@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1ccco1	ZINC000552250063	341381285	/nfs/dbraw/zinc/38/12/85/341381285.db2.gz	UFGONFORAJXXPZ-IBGZPJMESA-N	2	1	312.457	4.528	20	30		DJEDMP
C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1	ZINC000438991010	338357960	/nfs/dbraw/zinc/35/79/60/338357960.db2.gz	LFTIKEGSRMUYGC-LQCXBHPOSA-N	2	1	324.512	4.516	20	30		DJEDMP
C=CCC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccco1	ZINC000552225382	341379556	/nfs/dbraw/zinc/37/95/56/341379556.db2.gz	FYWHUKRQAXRIPO-QZTJIDSGSA-N	2	1	304.478	4.531	20	30		DJEDMP
C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1	ZINC000438991009	338357875	/nfs/dbraw/zinc/35/78/75/338357875.db2.gz	LFTIKEGSRMUYGC-KBRMVUAJSA-N	2	1	324.512	4.516	20	30		DJEDMP